Results 271 to 280 of about 149,392 (288)

Molecular structure, HOMO and LUMO studies of Di(Hydroxybenzyl) diselenide by quantum chemical investigations

Materials Today: Proceedings, 2022
Mridula Guin
exaly  

Novel oligothiophenes with reduced HOMO-LUMO band gap for Optoelectonics

2017
Here we present the synthesis of A-π-D-π-A thiophene-based oligomers (Figure 1); in the design of these materials we incorporated both electron-donor and electron-acceptor groups by having a central donor dithienosilole, two terminal methyldicyanovinyl acceptor groups and two bithienyl units, functionalised with alkyl or alkylsulfanyl chains, as π ...
Francesca Parenti, BUFFAGNI, MIRKO, Alfonso Zambon, Monica Caselli, Davide Vanossi, Adele Mucci   +5 more
openaire   +1 more source

Antiaromatic Lowering of the HOMO-LUMO Gap

Synfacts, 2009
openaire   +1 more source

Molecular structure and HOMO/LUMO analysis of 1,1'-Spirobi[3H-2,1-benzoxaselenolene] by quantum chemical investigation

Macromolecular Symposia, 2021
Mridula Guin
exaly  

Moleküle mit sehr kleiner HOMO‐LUMO‐Energielücke

Angewandte Chemie, 2005
Dmitrii F. Perepichka, Martin R. Bryce
openaire   +1 more source

Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine

Journal of Molecular Structure, 2021
Hemamalini Rajagopal, S Muthu, S Aayisha
exaly  

Experiments on the HOMO‐LUMO Nature of Metal‐Metal Bonds

Angewandte Chemie International Edition in English, 1979
Harald Beurich, Thomas Madach, Felix Richter, Heinrich Vahrenkamp   +3 more
openaire   +1 more source

Engineering a Small HOMO–LUMO Gap and Intramolecular C−H Borylation by Diborene/Anthracene Orbital Intercalation

Angewandte Chemie - International Edition, 2017
Rian D. Dewhurst, Alfredo Vargas, Theresa Dellermann   +2 more
exaly  

Large PAHs with Small HOMO-LUMO Gaps

Synfacts, 2011
openaire   +1 more source

How accurate are energies of HOMO and LUMO levels in small-molecule organic semiconductors determined from cyclic voltammetry or optical spectroscopy?

Synthetic Metals, 2018
Juliusz Sworakowski
exaly